| SpectraBase Compound ID | JfaPme2CcbC |
|---|---|
| InChI | InChI=1S/C31H28O15/c32-16-9-19(35)24-20(10-16)44-29(15-6-7-17(33)18(34)8-15)30(26(24)39)46-31-28(41)27(40)25(38)21(45-31)13-43-23(37)11-22(36)42-12-14-4-2-1-3-5-14/h1-10,21,25,27-28,31-35,38,40-41H,11-13H2/t21-,25-,27+,28-,31+/m1/s1 |
| InChIKey | NUNSVABDQFAXJL-REBRCYPJSA-N |
| Mol Weight | 640.55 g/mol |
| Molecular Formula | C31H28O15 |
| Exact Mass | 640.14282 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JSvjQq4OQXq |
|---|---|
| Name | ISOQUERCITIN-6''-(O-BENZYL)-MALONATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H28O15 |
| InChI | InChI=1S/C31H28O15/c32-16-9-19(35)24-20(10-16)44-29(15-6-7-17(33)18(34)8-15)30(26(24)39)46-31-28(41)27(40)25(38)21(45-31)13-43-23(37)11-22(36)42-12-14-4-2-1-3-5-14/h1-10,21,25,27-28,31-35,38,40-41H,11-13H2/t21-,25-,27+,28-,31+/m1/s1 |
| InChIKey | NUNSVABDQFAXJL-REBRCYPJSA-N |
| Literature Reference Author | S.RIVA,B.DANIELI,M.LUISETTI |
| Literature Reference Citation | J.NAT.PROD.,59,618(1996) |
| Literature Reference DOI | 10.1021/np960239m |
| Molecular Weight | 640.554 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRK884 |